NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4527 8.3044 118.1943 54.7711 32.6061 175.1262 2 V 3.4469 8.5150 121.0053 64.8756 31.7282 174.5111 3 I 4.4609 7.9007 121.3666 59.4967 40.1916 174.1889 4 A 4.6282 8.6440 128.8000 50.5933 20.9877 177.7992 5 T 3.8828 8.4603 115.8842 66.9726 68.1550 176.5733 6 D 4.5394 8.0638 118.9334 55.7911 39.5077 177.2638 7 D 4.5951 8.0497 119.0565 55.3409 41.4304 176.5867 8 L 4.7395 8.0688 119.7769 55.6081 44.1007 176.2090 9 E 5.2715 7.9152 113.8445 55.2462 32.7149 174.7133 10 T 4.7909 8.9279 110.2622 59.8055 72.7573 173.2501 11 T 4.3087 8.6551 119.1383 64.3226 69.2062 173.5389 12 C 4.3722 9.0603 127.0680 59.0976 32.2851 172.4773 13 P 4.5376 0.0000 0.0000 63.9332 31.6240 176.2219 14 N 4.8008 8.0422 115.2577 53.5910 40.1316 174.8647 15 C 4.7135 7.6179 110.1519 56.5659 31.1107 173.2833 16 N 4.1437 8.7649 117.0085 54.7390 36.2694 175.5154 17 G 4.0219 8.1965 105.2685 45.7357 0.0000 176.0084 18 S 4.1067 7.8969 114.1982 59.3650 63.4949 175.6215 19 G 3.9481 8.4630 107.7061 45.6392 0.0000 172.5544 20 R 4.9397 7.6631 116.2609 54.2400 34.3324 175.3036 21 E 4.6864 8.4614 121.4296 59.5866 29.5789 175.4548 22 E 3.6703 6.8489 116.7537 54.1605 30.1033 175.7437 23 P 4.7561 0.0000 0.0000 62.6925 32.0051 174.9550 24 E 4.7516 7.6265 118.4571 53.9921 32.3942 173.6538 25 P 4.5923 0.0000 0.0000 62.3241 32.2385 175.9229 26 C 4.1753 8.5761 121.4894 59.0352 31.8598 172.7307 27 P 4.2540 0.0000 0.0000 65.3350 31.3939 177.8162 28 K 4.0891 8.2166 118.8809 58.8367 32.3399 176.9684 29 C 4.5716 7.9347 110.6178 56.8267 30.5902 173.2485 30 L 3.8056 8.8471 121.4529 56.4934 40.3130 175.1747 31 G 4.4781 8.4910 103.3829 45.3291 0.0000 175.2172 32 K 4.0287 7.7928 118.9370 57.0296 32.4900 178.4438 33 G 4.0347 8.5775 105.5201 46.2458 0.0000 172.6708 34 V 5.1809 7.2843 111.0190 59.4263 35.9226 174.6518 35 I 4.7282 8.6963 115.3566 58.9508 40.9380 174.8573 36 L 4.7454 8.4847 123.5411 55.0232 42.6447 176.9785 37 T 4.3553 8.4651 112.9673 60.6219 70.9185 175.5941 38 A 3.9561 8.6145 122.5389 55.3318 18.2617 179.5447 39 Q 3.9959 8.0664 117.7295 59.2526 29.2469 178.4435 40 G 3.6127 8.1210 106.8666 47.8031 0.0000 175.6241 41 S 4.1323 8.3797 115.8192 61.4081 62.5541 176.3415 42 T 3.9124 7.9554 118.4195 66.6095 68.1229 176.6582 43 L 4.0678 7.9009 120.7073 57.7387 41.7066 179.2708 44 L 3.9633 8.0945 120.2946 58.4572 42.0175 178.3928 45 H 4.0934 8.4132 118.1488 59.1585 29.8710 176.8607 46 F 4.2197 8.2269 121.9005 61.4322 39.2000 176.9740 47 I 3.4400 8.0543 119.3833 64.3968 36.9903 178.4399 48 K 3.8084 8.3313 119.5078 59.4681 31.6635 179.2288 49 K 3.6918 7.7690 118.5825 59.4811 32.1100 177.8588 50 H 4.3506 7.4631 114.3136 57.3598 29.2085 176.8922 51 I 3.9918 7.7290 119.9357 61.0085 37.4501 176.8427 52 H 4.8749 8.0962 120.7375 56.2916 27.5189 174.4755 53 E 4.2886 7.7461 120.6417 56.9276 30.2529 174.9808 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.45 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 2 V 8.52 3.45 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 3 I 7.90 4.46 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.91 0.00 0.00 4 A 8.64 4.63 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.46 3.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 D 8.06 4.54 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.05 4.60 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.07 4.74 0.00 1.69 1.69 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.92 5.27 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 10 T 8.93 4.79 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 11 T 8.66 4.31 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 12 C 9.06 4.37 0.00 3.07 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.54 0.00 2.22 2.15 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 14 N 8.04 4.80 0.00 2.70 2.89 0.00 0.00 6.74 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 7.62 4.71 0.00 3.05 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.76 4.14 0.00 2.84 2.92 0.00 0.00 6.97 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.20 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.90 4.11 0.00 4.03 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.46 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.66 4.94 0.00 1.77 1.78 0.00 3.27 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 21 E 8.46 4.69 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 22 E 6.85 3.67 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 23 P 0.00 4.76 0.00 2.17 2.12 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 24 E 7.63 4.75 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 25 P 0.00 4.59 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 26 C 8.58 4.18 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.25 0.00 2.08 2.10 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 28 K 8.22 4.09 0.00 1.71 1.83 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.43 7.81 29 C 7.93 4.57 0.00 3.25 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.85 3.81 0.00 1.77 1.77 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.49 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.79 4.03 0.00 1.81 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 33 G 8.58 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.28 5.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 35 I 8.70 4.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.20 0.91 0.00 0.00 36 L 8.48 4.75 0.00 1.57 1.65 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.47 4.36 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 38 A 8.61 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.07 4.00 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 40 G 8.12 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.38 4.13 0.00 3.97 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.96 3.91 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 43 L 7.90 4.07 0.00 1.90 1.78 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.09 3.96 0.00 1.89 1.71 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.41 4.09 0.00 3.38 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.23 4.22 0.00 3.22 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.05 3.44 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.84 0.88 0.00 0.00 48 K 8.33 3.81 0.00 1.85 1.79 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.56 7.81 49 K 7.77 3.69 0.00 1.58 1.81 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.03 1.28 7.81 50 H 7.46 4.35 0.00 2.77 3.12 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.73 3.99 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.51 0.92 0.00 0.00 52 H 8.10 4.87 0.00 3.28 3.39 0.00 5.79 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.75 4.29 0.00 1.91 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00